CID 3318155

(1-(3-benzyl-ureido)-2,2-dichloro-vinyl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C28H24Cl2N2OP
SMILES
C1=CC=C(C=C1)CNC(=O)NC(=C(Cl)Cl)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H23Cl2N2OP/c29-26(30)27(32-28(33)31-21-22-13-5-1-6-14-22)34(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2,(H-,31,32,33)/p+1
InChIKey
ALHPDDKZEXIPKB-UHFFFAOYSA-O
Compound name
[1-(benzylcarbamoylamino)-2,2-dichloroethenyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.10034 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.10762 221.7
[M+Na]+ 528.08956 222.7
[M-H]- 504.09306 230.2
[M+NH4]+ 523.13416 227.2
[M+K]+ 544.06350 208.9
[M+H-H2O]+ 488.09760 211.6
[M+HCOO]- 550.09854 236.2
[M+CH3COO]- 564.11419 233.4
[M+Na-2H]- 526.07501 222.4
[M]+ 505.09979 220.3
[M]- 505.10089 220.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.